Compound Identification
SMILES
CC(=O)O[C@H]1C[C@H]2[C@@H](O)\C=C3/C[C@@](C)([C@@H](O)C[C@@H]3OC(=O)\C=C\C3=CC=CC=C3)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C
InChIKey
InChIKey=WNOWLWNAESNNDL-IHNXBZDVSA-N
Formula
C33H40O9
Mass
580.674
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Diterpenoids
- Level 5 Taxanes and derivatives
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Subclass
Diterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Diterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Taxanes and derivatives
Alternative Parents
Cinnamic acid esters Tricarboxylic acids and derivatives Styrenes Fatty acid esters Alpha-acyloxy ketones Enoate esters Secondary alcohols Ketones Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Taxane diterpenoid - Cinnamic acid or derivatives - Cinnamic acid ester - Tricarboxylic acid or derivatives - Styrene - Alpha-acyloxy ketone - Fatty acid ester - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Ketone - Carboxylic acid derivative - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as taxanes and derivatives. These are diterpenoids with a structure based either on the taxane skeleton, or a derivative thereof. In term of phytochemistry, several derivatives of the taxane skeleton exist: 2(3->20)-abeotaxane, 3,11-cyclotaxane, 11(15->1),11(10->9)-abeotaxane, 3,8-seco-taxane, and 11(15->1)-abeotaxane, among others. More complex skeletons have been found recently, which include the taxane-derived [3.3.3] propellane ring system.
External Descriptors
Not available